[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-[6-(2-thienyl)pyridazin-3-yl]-4-piperidyl]methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[1-(6-thiophen-2-yl-3-pyridazinyl)-4-piperidinyl]methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-4-yl]methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-[1-[6-(2-thienyl)pyridazin-3-yl]-4-piperidyl]methanone Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NN=C(C=C4)C5=CC=CS5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NN=C(C=C4)C5=CC=CS5)C

InChI

InChI=1S/C26H31N5OS/c1-19-5-3-6-23(20(19)2)29-14-16-31(17-15-29)26(32)21-10-12-30(13-11-21)25-9-8-22(27-28-25)24-7-4-18-33-24/h3-9,18,21H,10-17H2,1-2H3